Geometry & MOs

Info

ID:	46391
PubChem CID:	10524210
Reduced:	SN2O6C17H26 (1)
Stoich.:	AB2C6D17E26 (1)
Weight, g/mol:	386.209324
ΔH_f, kcal/mol:	-267.16
Dipole, Da:	3.42
IP(EA), eV:	-9.18(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R,4S,6R,7R,8R,11R,13S,15S)-6-methyl-17,18-dioxo-16-oxapentacyclo[13.2.2.01,13.03,11.04,8]nonadec-9-en-7-yl] 2-methylpropanoate

Drug info:

PubChemData

Smile

CCS[C@@]12C(=C)CCO[C@@](C(=O)N1)(NC2=O)[C@H]([C@@]3(COC(O3)(C)C)C)O

DOS

IR

Vibrations